N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide

C18H13F3N2O2S — CID 2441470

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide
SMILESCc1csc(N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2)n1
InChIInChI=1S/C18H13F3N2O2S/c1-12-11-26-17(22-12)23(14-5-3-2-4-6-14)16(24)13-7-9-15(10-8-13)25-18(19,20)21/h2-11H,1H3
InChIKeyZZCOAACGBACQQP-UHFFFAOYSA-N
MW378.38 g/mol
LogP5.33
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide (PubChem CID 2441470) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide
PubChem CID2441470
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide
SMILESCc1csc(N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2)n1
InChIInChI=1S/C18H13F3N2O2S/c1-12-11-26-17(22-12)23(14-5-3-2-4-6-14)16(24)13-7-9-15(10-8-13)25-18(19,20)21/h2-11H,1H3
InChIKeyZZCOAACGBACQQP-UHFFFAOYSA-N
XLogP5.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2467547
4-[[4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-yl](propionyl)amino]benzoic acid
CID 1313486
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893
2-Fluoro-N-(2-methoxy-ethyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 3170702
2-Fluoro-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-benzamide
CID 3170719
N-(3-Diethylamino-propyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-3-methyl-benzamide
CID 3170752
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-(4-ethoxyphenyl)thiazol-2-yl)benzamide
CID 4624396
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 14962267
N-(4-(2-((4-fluorobenzyl)amino)-2-oxoethyl)thiazol-2-yl)-4-methoxybenzamide
CID 18567955

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide (CID 2441470) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide is Cc1csc(N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide?
The InChIKey is ZZCOAACGBACQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-12-11-26-17(22-12)23(14-5-3-2-4-6-14)16(24)13-7-9-15(10-8-13)25-18(19,20)21/h2-11H,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide has a molecular weight of 378.38 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 2441470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).